Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 20 results

Search term: AGJUUQSLGVCRQA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445390

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
C35H58O12670.8278223100
32700218

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6-,10-8-,12-9-,15-13-,22-14-/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
C35H58O12670.827811900
4513835

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+
C35H58O12670.82789112024
58827700

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8?,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
C35H58O12670.82785500
68025459

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6?,10-8+,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
C35H58O12670.82784300
10606121

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6-,10-8-,12-9-,15-13-,22-14-
C35H58O12670.82784200
234352

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3
C35H58O12670.82783100
29786979

Double-bond stereo

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23?,24-,25+,26-,27+,28+,29+,30-,31?,32?,33?,34?/m0/s1
C35H58O12670.82782300
4950895

Double-bond stereo

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6u,10-8-,12-9u,15-13u,22-14-
C35H58O12670.82782200
58159080

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9-,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
C35H58O12670.82781100
77431498

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6?,10-8+,12-9+,15-13?,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
C35H58O12670.82781100
78443182

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8?,12-9+,15-13+,22-14+/t23-,24-,25+,26+,27-,28-,29+,30-,31-,32-,33-,34+/m0/s1
C35H58O12670.82781100
79715576

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6-,10-8-,12-9-,15-13-,22-14-/t23-,24-,25+,26-,27+,28-,29+,30-,31+,32+,33+,34+/m0/s1
C35H58O12670.82781100
110803738

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8-,12-9-,15-13-,22-14-/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
C35H58O12670.82781100
111307039

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6-,10-8-,12-9-,15-13-,22-14-/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m0/s1
C35H58O12670.82781100
114967141

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6-,10-8-,12-9-,15-13?,22-14-/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
C35H58O12670.82781100
128948907

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6-,10-8+,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
C35H58O12670.82781100

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